(2S)-4-[(2S)-2-cyclohexyloxybutanoyl]morpholine-2-carboxylic acid

C15H25NO5 — CID 125118721

IUPAC(2S)-4-[(2S)-2-cyclohexyloxybutanoyl]morpholine-2-carboxylic acid
SMILESCC[C@H](OC1CCCCC1)C(=O)N1CCO[C@H](C(=O)O)C1
InChIInChI=1S/C15H25NO5/c1-2-12(21-11-6-4-3-5-7-11)14(17)16-8-9-20-13(10-16)15(18)19/h11-13H,2-10H2,1H3,(H,18,19)/t12-,13-/m0/s1
InChIKeyUIBLESWQKZQURE-STQMWFEESA-N
MW299.37 g/mol
LogP1.43
Rot. Bonds5

About (2S)-4-[(2S)-2-cyclohexyloxybutanoyl]morpholine-2-carboxylic acid

(2S)-4-[(2S)-2-cyclohexyloxybutanoyl]morpholine-2-carboxylic acid (PubChem CID 125118721) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2S)-4-[(2S)-2-cyclohexyloxybutanoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-[(2S)-2-cyclohexyloxybutanoyl]morpholine-2-carboxylic acid
PubChem CID125118721
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Name(2S)-4-[(2S)-2-cyclohexyloxybutanoyl]morpholine-2-carboxylic acid
SMILESCC[C@H](OC1CCCCC1)C(=O)N1CCO[C@H](C(=O)O)C1
InChIInChI=1S/C15H25NO5/c1-2-12(21-11-6-4-3-5-7-11)14(17)16-8-9-20-13(10-16)15(18)19/h11-13H,2-10H2,1H3,(H,18,19)/t12-,13-/m0/s1
InChIKeyUIBLESWQKZQURE-STQMWFEESA-N
XLogP1.43
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-cyclopentyloxybutanoyl)morpholine-2-carboxylic acid
CID 119239391
(3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidine-3-carboxylic acid
CID 99623318
1-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclopentyloxybutan-1-one
CID 119410162
4-(2-cyclopentyloxy-2-phenylacetyl)morpholine-2-carboxylic acid
CID 122146208
4-(3-amino-2-methoxypropanoyl)morpholine-2-carboxylic acid
CID 106112662
3-[(3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidin-3-yl]propanoic acid
CID 124684075
4-[2-(cyclopentylmethyl)pentanoyl]morpholine-2-carboxylic acid
CID 119239386
(2S)-4-[(2R)-2-(2-methylphenoxy)butanoyl]morpholine-2-carboxylic acid
CID 125148922
1-(4-aminopiperidin-1-yl)-2-cyclohexyloxybutan-1-one;hydrochloride
CID 119375428
2-cyclohexyloxy-1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one
CID 86779212
1-[3-(1-aminoethyl)piperidin-1-yl]-2-cyclohexyloxybutan-1-one;hydrochloride
CID 119595319
2-cyclohexyloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one
CID 120997669

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2S)-2-cyclohexyloxybutanoyl]morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-[(2S)-2-cyclohexyloxybutanoyl]morpholine-2-carboxylic acid (CID 125118721) is (2S)-4-[(2S)-2-cyclohexyloxybutanoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-[(2S)-2-cyclohexyloxybutanoyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-[(2S)-2-cyclohexyloxybutanoyl]morpholine-2-carboxylic acid is CC[C@H](OC1CCCCC1)C(=O)N1CCO[C@H](C(=O)O)C1.
What is the InChIKey of (2S)-4-[(2S)-2-cyclohexyloxybutanoyl]morpholine-2-carboxylic acid?
The InChIKey is UIBLESWQKZQURE-STQMWFEESA-N. The full InChI is InChI=1S/C15H25NO5/c1-2-12(21-11-6-4-3-5-7-11)14(17)16-8-9-20-13(10-16)15(18)19/h11-13H,2-10H2,1H3,(H,18,19)/t12-,13-/m0/s1.
What are the key properties of (2S)-4-[(2S)-2-cyclohexyloxybutanoyl]morpholine-2-carboxylic acid?
(2S)-4-[(2S)-2-cyclohexyloxybutanoyl]morpholine-2-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2S)-2-cyclohexyloxybutanoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 125118721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).